CID 2455007

1-[(5-bromothiophen-2-yl)methyl]piperazine

Structural Information

Molecular Formula
C9H13BrN2S
SMILES
C1CN(CCN1)CC2=CC=C(S2)Br
InChI
InChI=1S/C9H13BrN2S/c10-9-2-1-8(13-9)7-12-5-3-11-4-6-12/h1-2,11H,3-7H2
InChIKey
STQKVDLGECMYRM-UHFFFAOYSA-N
Compound name
1-[(5-bromothiophen-2-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

259.9983 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.00558 143.4
[M+Na]+ 282.98752 154.2
[M-H]- 258.99102 148.8
[M+NH4]+ 278.03212 163.3
[M+K]+ 298.96146 142.2
[M+H-H2O]+ 242.99556 143.4
[M+HCOO]- 304.99650 155.6
[M+CH3COO]- 319.01215 157.0
[M+Na-2H]- 280.97297 146.2
[M]+ 259.99775 158.6
[M]- 259.99885 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.